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5-Bromo-3-methyl-1H-indole-7-carbonitrile - 95%, high purity , CAS No.1221448-64-1

COA

Grade & Purity:

≥95%

Cas Number: 1221448-64-1
Molecular Weight: 235.08
PubChem CID: 67236656
PubChem SID: 504771882

In stock

Item Number

B335561

Grouped product items
SKU	Size	Availability	Price
B335561-50mg	50mg	3	$324.90
B335561-250mg	250mg	3	$1,247.90
B335561-1g	1g	2	$4,490.90
B335561-5g	5g	2	$20,207.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Protected from light,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Indoles
      - Level5 3-alkylindoles
        Level6 3-methylindoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indoles
Intermediate Tree Nodes	3-alkylindoles
Direct Parent	3-methylindoles
Alternative Parents	Substituted pyrroles Benzenoids Aryl bromides Heteroaromatic compounds Nitriles Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	3-methylindole - Aryl bromide - Aryl halide - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Nitrile - Carbonitrile - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Cyanide - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 3-methylindoles. These are aromatic heterocyclic compounds that contain an indole moiety substituted at the 3-position with a methyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504771882
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504771882
IUPAC Name	5-bromo-3-methyl-1H-indole-7-carbonitrile
INCHI	InChI=1S/C10H7BrN2/c1-6-5-13-10-7(4-12)2-8(11)3-9(6)10/h2-3,5,13H,1H3
InChIKey	KMQQSKDTKMRIBU-UHFFFAOYSA-N
Smiles	CC1=CNC2=C(C=C(C=C12)Br)C#N
Isomeric SMILES	CC1=CNC2=C(C=C(C=C12)Br)C#N
Molecular Weight	235.08
Reaxy-Rn	21539402
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21539402&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
G2228383	Certificate of Analysis	May 09, 2025	B335561
G2228380	Certificate of Analysis	May 09, 2025	B335561
G2228381	Certificate of Analysis	May 09, 2025	B335561
G2228382	Certificate of Analysis	May 09, 2025	B335561
L2419087	Certificate of Analysis	Jun 09, 2022	B335561

Chemical and Physical Properties

Sensitivity	Sensitive to air; sensitive to light
Molecular Weight	235.080 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	233.979 Da
Monoisotopic Mass	233.979 Da
Topological Polar Surface Area	39.600 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	245.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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